2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid

C13H15BrN2O3 — CID 54946058

IUPAC2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(Br)cn1C1CC1)C1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-5-11(15(6-8)9-1-2-9)13(19)16(7-12(17)18)10-3-4-10/h5-6,9-10H,1-4,7H2,(H,17,18)
InChIKeySGGRIBNHHIYMSB-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.27
Rot. Bonds5

About 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid

2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 54946058) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
PubChem CID54946058
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(Br)cn1C1CC1)C1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-5-11(15(6-8)9-1-2-9)13(19)16(7-12(17)18)10-3-4-10/h5-6,9-10H,1-4,7H2,(H,17,18)
InChIKeySGGRIBNHHIYMSB-UHFFFAOYSA-N
XLogP2.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid (CID 54946058) is 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1cc(Br)cn1C1CC1)C1CC1.
What is the InChIKey of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is SGGRIBNHHIYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-8-5-11(15(6-8)9-1-2-9)13(19)16(7-12(17)18)10-3-4-10/h5-6,9-10H,1-4,7H2,(H,17,18).
What are the key properties of 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid?
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 327.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 54946058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).